FMOC-ILE-OPFP

The IUPAC name of L-Isoleucine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, pentafluorophenyl ester (9CI) is (2,3,4,5,6-pentafluorophenyl)(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate. With the CAS registry number 86060-89-1, it is also named as Fmoc-L-Ile-OPfp. The product's categories are Amino Acids; Fmoc-Amino Acids and Derivatives; Fmoc-Amino Acid Series. Besides, it is white powder, which should be stored at 2-8 °C. In addition, its molecular formula is C₂₇H₂₂F₅NO₄ and its molecular weight is 519.46.

The other characteristics of L-Isoleucine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, pentafluorophenyl ester (9CI) can be summarized as: (1)ACD/LogP: 7.68; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7.68; (4)ACD/LogD (pH 7.4): 7.68; (5)#H bond acceptors: 5; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 9; (8)Polar Surface Area: 64.63 Å²; (9)Index of Refraction: 1.549; (10)Molar Refractivity: 122.45 cm³; (11)Molar Volume: 384.5 cm³; (12)Polarizability: 48.54×10^-24cm³; (13)Surface Tension: 43.8 dyne/cm; (14)Density: 1.35 g/cm³; (15)Flash Point: 314.5 °C; (16)Enthalpy of Vaporization: 88.85 kJ/mol; (17)Boiling Point: 596.3 °C at 760 mmHg; (18)Vapour Pressure: 3.47E-14 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Fc4c(F)c(F)c(F)c(F)c4OC(=O)[C@@H](NC(=O)OCC3c1ccccc1c2ccccc23)[C@@H](C)CC
(2)InChI: InChI=1/C27H22F5NO4/c1-3-13(2)24(26(34)37-25-22(31)20(29)19(28)21(30)23(25)32)33-27(35)36-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18,24H,3,12H2,1-2H3,(H,33,35)/t13-,24-/m0/s1
(3)InChIKey: FYZSBHSHLNJGPS-RZFZLAGVBF
(4)Std. InChI: InChI=1S/C27H22F5NO4/c1-3-13(2)24(26(34)37-25-22(31)20(29)19(28)21(30)23(25)32)33-27(35)36-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18,24H,3,12H2,1-2H3,(H,33,35)/t13-,24-/m0/s1
(5)Std. InChIKey: FYZSBHSHLNJGPS-RZFZLAGVSA-N